[Wien] band structure

Lukasz Plucinski pluto at physics.ucdavis.edu
Thu Sep 8 13:49:26 CEST 2011


  Dear Wien2k experts,

I am running spin-polarized case, with pre-compiled binaries in 
single-CPU mode on older double-CPU Linux machine.

I need calculate band structure on the mesh of k-points for 
Fermi/constant-energy surface cut simulations. Due to large number of 
k-points the calculation takes a bit longer than for standard 
high-symmetry directions. Is it allowed to run:

x  lapw1 -band -up
x  lapw1 -band -dn

simultaneously ? This way I would use both CPUs and decrease the waiting 
time.

Regards,
Lukasz


More information about the Wien mailing list